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99840-54-7 | 5,5'-Dimethyldipyrromethane
CAS No: 99840-54-7 Catalog No: AG004X7H MDL No:MFCD08669617
Product Description
Catalog Number:
AG004X7H
Chemical Name:
5,5'-Dimethyldipyrromethane
CAS Number:
99840-54-7
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
MDL Number:
MFCD08669617
IUPAC Name:
2-[2-(1H-pyrrol-2-yl)propan-2-yl]-1H-pyrrole
InChI:
InChI=1S/C11H14N2/c1-11(2,9-5-3-7-12-9)10-6-4-8-13-10/h3-8,12-13H,1-2H3
InChI Key:
LATXIKIAELSWEJ-UHFFFAOYSA-N
SMILES:
CC(c1ccc[nH]1)(c1ccc[nH]1)C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.116g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.247g/mol
Monoisotopic Mass:
174.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| 2,2'-(Propane-2,2-di-yl)bis-(1H-pyrrole). | Acta crystallographica. Section E, Structure reports online 20100201 |
| Synthesis of spiroannulated oligopyrrole macrocycles derived from lithocholic acid. | Steroids 20090801 |
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